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{
"id": "mp-1206374",
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{
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"updated_at": "2021-11-28T01:36:15.564000Z",
"spacegroup": 225
},
{
"id": "mp-1207432",
"created_at": "2022-09-04T14:46:28.041567Z",
"structure_string": "Zr6 Zn23 Ge1\n1.0\n0.000000 6.231233 6.231233\n6.231233 0.000000 6.231233\n6.231233 6.231233 0.000000\nZr Zn Ge\n6 23 1\ndirect\n0.713120 0.286880 0.286880 Zr\n0.286880 0.713120 0.713120 Zr\n0.286880 0.713120 0.286880 Zr\n0.713120 0.286880 0.713120 Zr\n0.286880 0.286880 0.713120 Zr\n0.713120 0.713120 0.286880 Zr\n0.123072 0.123072 0.123072 Zn\n0.876928 0.876928 0.876928 Zn\n0.123072 0.123072 0.630783 Zn\n0.123072 0.630783 0.123072 Zn\n0.876928 0.876928 0.369217 Zn\n0.876928 0.369217 0.876928 Zn\n0.630783 0.123072 0.123072 Zn\n0.369217 0.876928 0.876928 Zn\n0.500000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Zn\n0.000000 0.500000 0.000000 Zn\n0.500000 0.000000 0.500000 Zn\n0.000000 0.000000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.335856 0.335856 0.335856 Zn\n0.664144 0.664144 0.664144 Zn\n0.335856 0.335856 0.992433 Zn\n0.335856 0.992433 0.335856 Zn\n0.664144 0.664144 0.007567 Zn\n0.664144 0.007567 0.664144 Zn\n0.992433 0.335856 0.335856 Zn\n0.007567 0.664144 0.664144 Zn\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Ge\n",
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"formula_full": "Zr6 Zn23 Ge1",
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"spacegroup": 225
},
{
"id": "mp-1207426",
"created_at": "2022-09-04T14:45:53.486308Z",
"structure_string": "Zr6 Zn23 Si1\n1.0\n0.000000 6.224434 6.224434\n6.224434 0.000000 6.224434\n6.224434 6.224434 0.000000\nZr Zn Si\n6 23 1\ndirect\n0.710202 0.289798 0.289798 Zr\n0.289798 0.710202 0.710202 Zr\n0.289798 0.710202 0.289798 Zr\n0.710202 0.289798 0.710202 Zr\n0.289798 0.289798 0.710202 Zr\n0.710202 0.710202 0.289798 Zr\n0.122956 0.122956 0.122956 Zn\n0.877044 0.877044 0.877044 Zn\n0.122956 0.122956 0.631133 Zn\n0.122956 0.631133 0.122956 Zn\n0.877044 0.877044 0.368867 Zn\n0.877044 0.368867 0.877044 Zn\n0.631133 0.122956 0.122956 Zn\n0.368867 0.877044 0.877044 Zn\n0.500000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Zn\n0.000000 0.500000 0.000000 Zn\n0.500000 0.000000 0.500000 Zn\n0.000000 0.000000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.335770 0.335770 0.335770 Zn\n0.664230 0.664230 0.664230 Zn\n0.335770 0.335770 0.992691 Zn\n0.335770 0.992691 0.335770 Zn\n0.664230 0.664230 0.007309 Zn\n0.664230 0.007309 0.664230 Zn\n0.992691 0.335770 0.335770 Zn\n0.007309 0.664230 0.664230 Zn\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Si\n",
"nsites": 30,
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"elements": [
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"chemical_system": "Si-Zn-Zr",
"density": 7.16058819886535,
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"volume": 482.3136960924339,
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"formula_full": "Zr6 Zn23 Si1",
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"updated_at": "2021-11-28T01:37:06.389000Z",
"spacegroup": 225
},
{
"id": "mp-1191610",
"created_at": "2022-09-04T14:43:06.626867Z",
"structure_string": "Zr14 As8\n1.0\n1.861547 8.205923 0.000000\n-1.861547 8.205923 0.000000\n0.000000 3.877109 14.587589\nZr As\n14 8\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 Zr\n0.431322 0.431322 0.169379 Zr\n0.568678 0.568678 0.830621 Zr\n0.196059 0.196059 0.690871 Zr\n0.803941 0.803941 0.309129 Zr\n0.206335 0.206335 0.203854 Zr\n0.793665 0.793665 0.796146 Zr\n0.338523 0.338523 0.969344 Zr\n0.661477 0.661477 0.030656 Zr\n0.003290 0.003290 0.336779 Zr\n0.996710 0.996710 0.663221 Zr\n0.178750 0.178750 0.457305 Zr\n0.821250 0.821250 0.542695 Zr\n0.176144 0.176144 0.888976 As\n0.823856 0.823856 0.111024 As\n0.373996 0.373996 0.397652 As\n0.626004 0.626004 0.602348 As\n0.369627 0.369627 0.660203 As\n0.630373 0.630373 0.339797 As\n0.063175 0.063175 0.149719 As\n0.936825 0.936825 0.850281 As\n",
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},
{
"id": "mp-1188077",
"created_at": "2022-09-04T14:41:31.377703Z",
"structure_string": "Zr14 Cu20\n1.0\n4.645576 -6.289433 0.000000\n4.645576 6.289433 0.000000\n0.000000 0.000000 9.329583\nZr Cu\n14 20\ndirect\n0.690980 0.309020 0.500000 Zr\n0.190980 0.809020 0.000000 Zr\n0.519910 0.019910 0.750000 Zr\n0.980090 0.480090 0.250000 Zr\n0.019910 0.519910 0.750000 Zr\n0.480089 0.980089 0.250000 Zr\n0.810909 0.810909 0.804488 Zr\n0.189091 0.189091 0.195512 Zr\n0.310909 0.310909 0.695512 Zr\n0.689091 0.689091 0.304488 Zr\n0.000000 0.000000 0.500000 Zr\n0.500000 0.500000 0.000000 Zr\n0.309020 0.690980 0.500000 Zr\n0.809020 0.190980 0.000000 Zr\n0.380354 0.668954 0.794218 Cu\n0.331046 0.619646 0.205782 Cu\n0.880354 0.168954 0.705782 Cu\n0.831046 0.119646 0.294218 Cu\n0.168954 0.880354 0.705782 Cu\n0.119646 0.831046 0.294218 Cu\n0.668954 0.380354 0.794218 Cu\n0.619646 0.331046 0.205782 Cu\n0.649250 0.939967 0.508581 Cu\n0.060033 0.350750 0.491419 Cu\n0.149250 0.439967 0.991419 Cu\n0.560033 0.850750 0.008581 Cu\n0.939967 0.649250 0.508581 Cu\n0.350750 0.060033 0.491419 Cu\n0.439967 0.149250 0.991419 Cu\n0.850750 0.560033 0.008581 Cu\n0.606349 0.606349 0.600411 Cu\n0.393651 0.393651 0.399589 Cu\n0.106349 0.106349 0.899589 Cu\n0.893651 0.893651 0.100411 Cu\n",
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},
{
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"structure_string": "Zr14 N4 O22\n1.0\n8.158033 0.000000 0.000000\n2.434194 7.811918 0.000000\n2.405403 1.739039 7.645929\nZr N O\n14 4 22\ndirect\n0.002987 0.002456 0.999134 Zr\n0.837123 0.403207 0.744699 Zr\n0.719737 0.852450 0.451755 Zr\n0.921201 0.221932 0.381761 Zr\n0.793852 0.599233 0.093695 Zr\n0.403087 0.745797 0.842026 Zr\n0.609750 0.089311 0.792517 Zr\n0.487978 0.486392 0.493340 Zr\n0.398385 0.904474 0.205285 Zr\n0.554644 0.291230 0.128271 Zr\n0.202569 0.393506 0.919652 Zr\n0.086768 0.787867 0.616032 Zr\n0.288591 0.133502 0.544049 Zr\n0.146910 0.604153 0.248294 Zr\n0.748710 0.167578 0.924300 N\n0.169855 0.926472 0.750908 N\n0.242868 0.834063 0.080516 N\n0.027037 0.418458 0.177678 N\n0.974217 0.598187 0.827514 O\n0.834954 0.964422 0.611407 O\n0.962193 0.679681 0.466858 O\n0.925040 0.768731 0.121925 O\n0.594986 0.842583 0.971646 O\n0.672869 0.496296 0.966791 O\n0.641456 0.630841 0.644874 O\n0.712626 0.312128 0.595442 O\n0.507403 0.953819 0.652628 O\n0.874214 0.051276 0.260351 O\n0.611129 0.710943 0.314058 O\n0.683503 0.382358 0.282098 O\n0.311483 0.594334 0.719010 O\n0.389173 0.272381 0.689308 O\n0.513671 0.050808 0.327178 O\n0.285452 0.698068 0.402153 O\n0.351615 0.381737 0.363526 O\n0.349794 0.500626 0.031127 O\n0.394249 0.164996 0.029799 O\n0.053558 0.249911 0.888177 O\n0.040196 0.301179 0.547458 O\n0.174164 0.032615 0.392759 O\n",
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},
{
"id": "mp-636525",
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"structure_string": "Zr14 Ni20\n1.0\n4.587059 -6.199879 0.000000\n4.587059 6.199879 0.000000\n0.000000 0.000000 9.233711\nZr Ni\n14 20\ndirect\n0.191482 0.808518 0.000000 Zr\n0.691482 0.308518 0.500000 Zr\n0.312464 0.312464 0.687547 Zr\n0.687536 0.687536 0.312453 Zr\n0.808518 0.191482 0.000000 Zr\n0.001649 0.501649 0.750000 Zr\n0.998351 0.498351 0.250000 Zr\n0.812464 0.812464 0.812453 Zr\n0.500000 0.500000 0.000000 Zr\n0.498351 0.998351 0.250000 Zr\n0.308518 0.691482 0.500000 Zr\n0.501649 0.001649 0.750000 Zr\n0.187536 0.187536 0.187547 Zr\n0.000000 0.000000 0.500000 Zr\n0.894057 0.894057 0.105576 Ni\n0.640276 0.347703 0.207126 Ni\n0.061446 0.351059 0.493315 Ni\n0.652297 0.359724 0.792874 Ni\n0.847703 0.140276 0.292874 Ni\n0.140276 0.847703 0.292874 Ni\n0.605943 0.605943 0.605576 Ni\n0.438554 0.148941 0.993315 Ni\n0.359724 0.652297 0.792874 Ni\n0.152297 0.859724 0.707126 Ni\n0.148941 0.438554 0.993315 Ni\n0.561446 0.851059 0.006685 Ni\n0.938554 0.648941 0.506685 Ni\n0.648941 0.938554 0.506685 Ni\n0.105943 0.105943 0.894424 Ni\n0.394057 0.394057 0.394424 Ni\n0.851059 0.561446 0.006685 Ni\n0.351059 0.061446 0.493315 Ni\n0.859724 0.152297 0.707126 Ni\n0.347703 0.640276 0.207126 Ni\n",
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},
{
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